(3-chloro-4-methylphenyl)-(4-methyl-2-pyridinyl)methanone

C14H12ClNO — CID 107559829

IUPAC(3-chloro-4-methylphenyl)-(4-methyl-2-pyridinyl)methanone
SMILESCc1ccnc(C(=O)c2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C14H12ClNO/c1-9-5-6-16-13(7-9)14(17)11-4-3-10(2)12(15)8-11/h3-8H,1-2H3
InChIKeyGTUSQJCANZMZRK-UHFFFAOYSA-N
MW245.71 g/mol
LogP3.58
Rot. Bonds2

About (3-chloro-4-methylphenyl)-(4-methyl-2-pyridinyl)methanone

(3-chloro-4-methylphenyl)-(4-methyl-2-pyridinyl)methanone (PubChem CID 107559829) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(4-methyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(4-methyl-2-pyridinyl)methanone
PubChem CID107559829
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name(3-chloro-4-methylphenyl)-(4-methyl-2-pyridinyl)methanone
SMILESCc1ccnc(C(=O)c2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C14H12ClNO/c1-9-5-6-16-13(7-9)14(17)11-4-3-10(2)12(15)8-11/h3-8H,1-2H3
InChIKeyGTUSQJCANZMZRK-UHFFFAOYSA-N
XLogP3.58
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-methylphenyl)-pyrimidin-4-ylmethanone
CID 107559832
(3-chloro-4-methylphenyl)-(5-fluoro-2-pyridinyl)methanone
CID 107559897
(3-chloro-4-methylphenyl)-(6-methyl-2-pyridinyl)methanone
CID 107559828
2,3-dihydro-1,4-benzodioxin-6-yl-(4-methyl-2-pyridinyl)methanone
CID 63840653
(3-chloro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanone
CID 114971606
(3-chloro-4-methylphenyl)-(2H-triazol-4-yl)methanone
CID 107559913
(3-chloro-4-methylphenyl)-pyridazin-4-ylmethanone
CID 107561470
(3-chloro-4-methylphenyl)-[4-(dimethylamino)phenyl]methanone
CID 103693754
(3-chloro-4-methylphenyl)-quinolin-6-ylmethanone
CID 115790583
(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone
CID 103693752
(3-chloro-4-methylphenyl)-(4-methylthiophen-3-yl)methanone
CID 107559906
(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736289

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(4-methyl-2-pyridinyl)methanone?
The IUPAC name of (3-chloro-4-methylphenyl)-(4-methyl-2-pyridinyl)methanone (CID 107559829) is (3-chloro-4-methylphenyl)-(4-methyl-2-pyridinyl)methanone.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(4-methyl-2-pyridinyl)methanone?
The canonical SMILES for (3-chloro-4-methylphenyl)-(4-methyl-2-pyridinyl)methanone is Cc1ccnc(C(=O)c2ccc(C)c(Cl)c2)c1.
What is the InChIKey of (3-chloro-4-methylphenyl)-(4-methyl-2-pyridinyl)methanone?
The InChIKey is GTUSQJCANZMZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO/c1-9-5-6-16-13(7-9)14(17)11-4-3-10(2)12(15)8-11/h3-8H,1-2H3.
What are the key properties of (3-chloro-4-methylphenyl)-(4-methyl-2-pyridinyl)methanone?
(3-chloro-4-methylphenyl)-(4-methyl-2-pyridinyl)methanone has a molecular weight of 245.71 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(4-methyl-2-pyridinyl)methanone is sourced from PubChem (CID 107559829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).